2-[bis(2-chlorophenyl)methoxy]acetic acid

C15H12Cl2O3 — CID 57126454

IUPAC2-[bis(2-chlorophenyl)methoxy]acetic acid
SMILESO=C(O)COC(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2O3/c16-12-7-3-1-5-10(12)15(20-9-14(18)19)11-6-2-4-8-13(11)17/h1-8,15H,9H2,(H,18,19)
InChIKeyCVEDFFSWVKWJDH-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.18
Rot. Bonds5

About 2-[bis(2-chlorophenyl)methoxy]acetic acid

2-[bis(2-chlorophenyl)methoxy]acetic acid (PubChem CID 57126454) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-[bis(2-chlorophenyl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[bis(2-chlorophenyl)methoxy]acetic acid
PubChem CID57126454
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-[bis(2-chlorophenyl)methoxy]acetic acid
SMILESO=C(O)COC(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2O3/c16-12-7-3-1-5-10(12)15(20-9-14(18)19)11-6-2-4-8-13(11)17/h1-8,15H,9H2,(H,18,19)
InChIKeyCVEDFFSWVKWJDH-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
azane;2-benzhydryloxyacetic acid;propane
CID 173385608
2-(carboxymethoxy)-2-(2-hydroxyphenyl)acetic acid
CID 67638779
3-(2-chlorophenyl)butanoic acid
CID 54775987
3-[[carboxy-(2-chlorophenyl)methyl]amino]propanoic acid
CID 84746174
[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
CID 150814441
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-benzhydryloxyacetic acid;N,N-dimethylethanamine
CID 173349968
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
2-(2-chlorophenyl)butanoate
CID 22456439
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-chlorophenyl)methoxy]acetic acid?
The IUPAC name of 2-[bis(2-chlorophenyl)methoxy]acetic acid (CID 57126454) is 2-[bis(2-chlorophenyl)methoxy]acetic acid.
What is the SMILES notation for 2-[bis(2-chlorophenyl)methoxy]acetic acid?
The canonical SMILES for 2-[bis(2-chlorophenyl)methoxy]acetic acid is O=C(O)COC(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-[bis(2-chlorophenyl)methoxy]acetic acid?
The InChIKey is CVEDFFSWVKWJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-12-7-3-1-5-10(12)15(20-9-14(18)19)11-6-2-4-8-13(11)17/h1-8,15H,9H2,(H,18,19).
What are the key properties of 2-[bis(2-chlorophenyl)methoxy]acetic acid?
2-[bis(2-chlorophenyl)methoxy]acetic acid has a molecular weight of 311.16 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-chlorophenyl)methoxy]acetic acid is sourced from PubChem (CID 57126454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).